5-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-oxoisothiochromene-3-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-oxoisothiochromene-3-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(1-ketoisothiochromene-3-carbonyl)amino]isophthalic acid Formula: C18H11NO6S MolecularWeight: 369.34804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H11NO6S/c20-15(14-8-9-3-1-2-4-13(9)18(25)26-14)19-12-6-10(16(21)22)5-11(7-12)17(23)24/h1-8H,(H,19,20)(H,21,22)(H,23,24)